Electric and optical properties modulations of armchair silicene nanoribbons by transverse electric fields

Abstract

Under the influence of the external transverse electric fields, the effective mass and optical properties of armchair-edge silicene nanoribbons (ASiNRs) are investigated using the first-principles based on density functional theory (DFT). The results show that, comparing without the external transverse electric fields, the band gaps decrease monotonously, and the effective masses of the electrons and holes change non-monotonously with the absolute value of the electric fields, respectively. The total density of states (DOS) shows that, under the external electric fields, 9-ASiNR exhibits p-type semiconductor characters. Because of the obvious difference of the imaginary parts between the//x and//y directions, 9-ASiNR shows an optical anisotropy. In//x direction, the peaks of the dielectric function have evident red shift which are all associated with the electrons transition between Si 3p orbit and Si 3p, 3s orbits.